# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.06917766
_cell_length_b   13.77100709
_cell_length_c   48.45769103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.95830274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   10008.1165039
_cell_formula_units_Z   126
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H1  1  0.028350  0.032861  0.287259  1
  H  H2  1  0.361684  0.699528  0.287259  1
  H  H3  1  0.293272  0.921866  0.328926  1
  H  H4  1  0.660811  0.977363  0.308092  1
  H  H5  1  0.994145  0.644030  0.308092  1
  H  H6  1  0.327478  0.310697  0.308092  1
  H  H7  1  0.695017  0.366194  0.287259  1
  H  H8  1  0.626605  0.588532  0.328926  1
  H  H9  1  0.959939  0.255199  0.328926  1
  H  H10  1  0.864326  0.940940  0.285650  1
  H  H11  1  0.197660  0.607606  0.285650  1
  H  H12  1  0.129248  0.829945  0.327316  1
  H  H13  1  0.496787  0.885442  0.306483  1
  H  H14  1  0.830120  0.552109  0.306483  1
  H  H15  1  0.163454  0.218775  0.306483  1
  H  H16  1  0.530993  0.274273  0.285650  1
  H  H17  1  0.462581  0.496611  0.327316  1
  H  H18  1  0.795914  0.163278  0.327316  1
  H  H19  1  0.810375  0.116281  0.318509  1
  H  H20  1  0.143708  0.782948  0.318509  1
  H  H21  1  0.177914  0.171779  0.297676  1
  H  H22  1  0.442836  0.060784  0.339342  1
  H  H23  1  0.776169  0.727450  0.339342  1
  H  H24  1  0.109502  0.394117  0.339342  1
  H  H25  1  0.477042  0.449615  0.318509  1
  H  H26  1  0.511248  0.838445  0.297676  1
  H  H27  1  0.844581  0.505112  0.297676  1
  H  H28  1  0.013890  0.079858  0.296066  1
  H  H29  1  0.347223  0.746524  0.296066  1
  H  H30  1  0.278812  0.968862  0.337733  1
  H  H31  1  0.646351  0.024360  0.316900  1
  H  H32  1  0.979684  0.691027  0.316900  1
  H  H33  1  0.313017  0.357693  0.316900  1
  H  H34  1  0.680557  0.413191  0.296066  1
  H  H35  1  0.612145  0.635529  0.337733  1
  H  H36  1  0.945478  0.302196  0.337733  1
  H  H37  1  0.925733  0.866368  0.349759  1
  H  H38  1  0.259066  0.533035  0.349759  1
  H  H39  1  0.190654  0.755373  0.391426  1
  H  H40  1  0.558194  0.810871  0.370592  1
  H  H41  1  0.891527  0.477537  0.370592  1
  H  H42  1  0.224860  0.144204  0.370592  1
  H  H43  1  0.592400  0.199702  0.349759  1
  H  H44  1  0.523988  0.422040  0.391426  1
  H  H45  1  0.857321  0.088706  0.391426  1
  H  H46  1  0.761709  0.774447  0.348150  1
  H  H47  1  0.095042  0.441114  0.348150  1
  H  H48  1  0.026630  0.663452  0.389816  1
  H  H49  1  0.394169  0.718949  0.368983  1
  H  H50  1  0.727503  0.385616  0.368983  1
  H  H51  1  0.060836  0.052283  0.368983  1
  H  H52  1  0.428375  0.107780  0.348150  1
  H  H53  1  0.359964  0.330118  0.389816  1
  H  H54  1  0.693297  0.996785  0.389816  1
  H  H55  1  0.707757  0.949789  0.381009  1
  H  H56  1  0.041091  0.616455  0.381009  1
  H  H57  1  0.075297  0.005286  0.360176  1
  H  H58  1  0.340218  0.894291  0.401842  1
  H  H59  1  0.673551  0.560958  0.401842  1
  H  H60  1  0.006885  0.227624  0.401842  1
  H  H61  1  0.374424  0.283122  0.381009  1
  H  H62  1  0.408630  0.671953  0.360176  1
  H  H63  1  0.741963  0.338619  0.360176  1
  H  H64  1  0.911272  0.913365  0.358566  1
  H  H65  1  0.244606  0.580031  0.358566  1
  H  H66  1  0.176194  0.802370  0.400233  1
  H  H67  1  0.543733  0.857867  0.379400  1
  H  H68  1  0.877066  0.524534  0.379400  1
  H  H69  1  0.210400  0.191201  0.379400  1
  H  H70  1  0.577939  0.246698  0.358566  1
  H  H71  1  0.509527  0.469036  0.400233  1
  H  H72  1  0.842861  0.135703  0.400233  1
  H  H73  1  0.823115  0.699876  0.412259  1
  H  H74  1  0.156449  0.366542  0.412259  1
  H  H75  1  0.088037  0.588880  0.453926  1
  H  H76  1  0.455576  0.644378  0.433092  1
  H  H77  1  0.788909  0.311045  0.433092  1
  H  H78  1  0.122243  0.977711  0.433092  1
  H  H79  1  0.489782  0.033209  0.412259  1
  H  H80  1  0.421370  0.255547  0.453926  1
  H  H81  1  0.754703  0.922214  0.453926  1
  H  H82  1  0.659091  0.607954  0.410650  1
  H  H83  1  0.992424  0.274621  0.410650  1
  H  H84  1  0.924013  0.496959  0.452316  1
  H  H85  1  0.291552  0.552457  0.431483  1
  H  H86  1  0.624885  0.219123  0.431483  1
  H  H87  1  0.958218  0.885790  0.431483  1
  H  H88  1  0.325758  0.941288  0.410650  1
  H  H89  1  0.257346  0.163626  0.452316  1
  H  H90  1  0.590679  0.830292  0.452316  1
  H  H91  1  0.605140  0.783296  0.443509  1
  H  H92  1  0.938473  0.449963  0.443509  1
  H  H93  1  0.972679  0.838793  0.422676  1
  H  H94  1  0.237601  0.727798  0.464342  1
  H  H95  1  0.570934  0.394465  0.464342  1
  H  H96  1  0.904267  0.061132  0.464342  1
  H  H97  1  0.271806  0.116629  0.443509  1
  H  H98  1  0.306012  0.505460  0.422676  1
  H  H99  1  0.639346  0.172127  0.422676  1
  H  H100  1  0.808655  0.746872  0.421066  1
  H  H101  1  0.141988  0.413539  0.421066  1
  H  H102  1  0.073576  0.635877  0.462733  1
  H  H103  1  0.441116  0.691375  0.441900  1
  H  H104  1  0.774449  0.358041  0.441900  1
  H  H105  1  0.107782  0.024708  0.441900  1
  H  H106  1  0.475321  0.080205  0.421066  1
  H  H107  1  0.406910  0.302544  0.462733  1
  H  H108  1  0.740243  0.969210  0.462733  1
  H  H109  1  0.720498  0.533383  0.474759  1
  H  H110  1  0.053831  0.200049  0.474759  1
  H  H111  1  0.985419  0.422388  0.516426  1
  H  H112  1  0.352958  0.477885  0.495592  1
  H  H113  1  0.686292  0.144552  0.495592  1
  H  H114  1  0.019625  0.811219  0.495592  1
  H  H115  1  0.387164  0.866716  0.474759  1
  H  H116  1  0.318753  0.089054  0.516426  1
  H  H117  1  0.652086  0.755721  0.516426  1
  H  H118  1  0.556473  0.441462  0.473150  1
  H  H119  1  0.889807  0.108128  0.473150  1
  H  H120  1  0.821395  0.330466  0.514816  1
  H  H121  1  0.188934  0.385964  0.493983  1
  H  H122  1  0.522267  0.052631  0.493983  1
  H  H123  1  0.855601  0.719297  0.493983  1
  H  H124  1  0.223140  0.774795  0.473150  1
  H  H125  1  0.154728  0.997133  0.514816  1
  H  H126  1  0.488062  0.663800  0.514816  1
  H  H127  1  0.502522  0.616803  0.506009  1
  H  H128  1  0.835855  0.283470  0.506009  1
  H  H129  1  0.870061  0.672301  0.485176  1
  H  H130  1  0.134983  0.561306  0.526842  1
  H  H131  1  0.468316  0.227972  0.526842  1
  H  H132  1  0.801650  0.894639  0.526842  1
  H  H133  1  0.169189  0.950136  0.506009  1
  H  H134  1  0.203395  0.338967  0.485176  1
  H  H135  1  0.536728  0.005634  0.485176  1
  H  H136  1  0.706037  0.580379  0.483566  1
  H  H137  1  0.039370  0.247046  0.483566  1
  H  H138  1  0.970959  0.469384  0.525233  1
  H  H139  1  0.338498  0.524882  0.504400  1
  H  H140  1  0.671831  0.191549  0.504400  1
  H  H141  1  0.005165  0.858215  0.504400  1
  H  H142  1  0.372704  0.913713  0.483566  1
  H  H143  1  0.304292  0.136051  0.525233  1
  H  H144  1  0.637625  0.802718  0.525233  1
  H  H145  1  0.617880  0.366890  0.537259  1
  H  H146  1  0.951213  0.033557  0.537259  1
  H  H147  1  0.882802  0.255895  0.578926  1
  H  H148  1  0.250341  0.311393  0.558092  1
  H  H149  1  0.583674  0.978059  0.558092  1
  H  H150  1  0.917007  0.644726  0.558092  1
  H  H151  1  0.284547  0.700223  0.537259  1
  H  H152  1  0.216135  0.922562  0.578926  1
  H  H153  1  0.549468  0.589228  0.578926  1
  H  H154  1  0.453856  0.274969  0.535650  1
  H  H155  1  0.787189  0.941635  0.535650  1
  H  H156  1  0.718777  0.163974  0.577316  1
  H  H157  1  0.086317  0.219471  0.556483  1
  H  H158  1  0.419650  0.886138  0.556483  1
  H  H159  1  0.752983  0.552805  0.556483  1
  H  H160  1  0.120522  0.608302  0.535650  1
  H  H161  1  0.052111  0.830640  0.577316  1
  H  H162  1  0.385444  0.497307  0.577316  1
  H  H163  1  0.399904  0.450310  0.568509  1
  H  H164  1  0.733238  0.116977  0.568509  1
  H  H165  1  0.767444  0.505808  0.547676  1
  H  H166  1  0.032365  0.394813  0.589342  1
  H  H167  1  0.365699  0.061480  0.589342  1
  H  H168  1  0.699032  0.728146  0.589342  1
  H  H169  1  0.066571  0.783644  0.568509  1
  H  H170  1  0.100777  0.172475  0.547676  1
  H  H171  1  0.434110  0.839141  0.547676  1
  H  H172  1  0.603419  0.413887  0.546066  1
  H  H173  1  0.936753  0.080553  0.546066  1
  H  H174  1  0.868341  0.302892  0.587733  1
  H  H175  1  0.235880  0.358389  0.566900  1
  H  H176  1  0.569214  0.025056  0.566900  1
  H  H177  1  0.902547  0.691722  0.566900  1
  H  H178  1  0.270086  0.747220  0.546066  1
  H  H179  1  0.201674  0.969558  0.587733  1
  H  H180  1  0.535008  0.636225  0.587733  1
  H  H181  1  0.515262  0.200397  0.599759  1
  H  H182  1  0.848596  0.867064  0.599759  1
  H  H183  1  0.780184  0.089402  0.641426  1
  H  H184  1  0.147723  0.144900  0.620592  1
  H  H185  1  0.481056  0.811567  0.620592  1
  H  H186  1  0.814390  0.478233  0.620592  1
  H  H187  1  0.181929  0.533731  0.599759  1
  H  H188  1  0.113517  0.756069  0.641426  1
  H  H189  1  0.446851  0.422736  0.641426  1
  H  H190  1  0.351238  0.108476  0.598150  1
  H  H191  1  0.684571  0.775143  0.598150  1
  H  H192  1  0.616160  0.997481  0.639816  1
  H  H193  1  0.983699  0.052979  0.618983  1
  H  H194  1  0.317032  0.719645  0.618983  1
  H  H195  1  0.650366  0.386312  0.618983  1
  H  H196  1  0.017905  0.441809  0.598150  1
  H  H197  1  0.949493  0.664148  0.639816  1
  H  H198  1  0.282826  0.330814  0.639816  1
  H  H199  1  0.297287  0.283818  0.631009  1
  H  H200  1  0.630620  0.950484  0.631009  1
  H  H201  1  0.664826  0.339315  0.610176  1
  H  H202  1  0.929748  0.228320  0.651842  1
  H  H203  1  0.263081  0.894987  0.651842  1
  H  H204  1  0.596414  0.561653  0.651842  1
  H  H205  1  0.963954  0.617151  0.631009  1
  H  H206  1  0.998159  0.005982  0.610176  1
  H  H207  1  0.331493  0.672649  0.610176  1
  H  H208  1  0.500802  0.247394  0.608566  1
  H  H209  1  0.834135  0.914061  0.608566  1
  H  H210  1  0.765723  0.136399  0.650233  1
  H  H211  1  0.133263  0.191896  0.629400  1
  H  H212  1  0.466596  0.858563  0.629400  1
  H  H213  1  0.799929  0.525230  0.629400  1
  H  H214  1  0.167469  0.580727  0.608566  1
  H  H215  1  0.099057  0.803066  0.650233  1
  H  H216  1  0.432390  0.469732  0.650233  1
  H  H217  1  0.412645  0.033905  0.662259  1
  H  H218  1  0.745978  0.700571  0.662259  1
  H  H219  1  0.677566  0.922910  0.703926  1
  H  H220  1  0.045105  0.978407  0.683092  1
  H  H221  1  0.378439  0.645074  0.683092  1
  H  H222  1  0.711772  0.311740  0.683092  1
  H  H223  1  0.079311  0.367238  0.662259  1
  H  H224  1  0.010900  0.589576  0.703926  1
  H  H225  1  0.344233  0.256243  0.703926  1
  H  H226  1  0.248620  0.941983  0.660650  1
  H  H227  1  0.581954  0.608650  0.660650  1
  H  H228  1  0.513542  0.830988  0.702316  1
  H  H229  1  0.881081  0.886486  0.681483  1
  H  H230  1  0.214415  0.553152  0.681483  1
  H  H231  1  0.547748  0.219819  0.681483  1
  H  H232  1  0.915287  0.275317  0.660650  1
  H  H233  1  0.846875  0.497655  0.702316  1
  H  H234  1  0.180209  0.164322  0.702316  1
  H  H235  1  0.194669  0.117325  0.693509  1
  H  H236  1  0.528003  0.783992  0.693509  1
  H  H237  1  0.562208  0.172823  0.672676  1
  H  H238  1  0.827130  0.061827  0.714342  1
  H  H239  1  0.160463  0.728494  0.714342  1
  H  H240  1  0.493797  0.395161  0.714342  1
  H  H241  1  0.861336  0.450658  0.693509  1
  H  H242  1  0.895542  0.839489  0.672676  1
  H  H243  1  0.228875  0.506156  0.672676  1
  H  H244  1  0.398184  0.080901  0.671066  1
  H  H245  1  0.731518  0.747568  0.671066  1
  H  H246  1  0.663106  0.969906  0.712733  1
  H  H247  1  0.030645  0.025404  0.691900  1
  H  H248  1  0.363978  0.692070  0.691900  1
  H  H249  1  0.697312  0.358737  0.691900  1
  H  H250  1  0.064851  0.414235  0.671066  1
  H  H251  1  0.996439  0.636573  0.712733  1
  H  H252  1  0.329772  0.303240  0.712733  1
